Unknown PFAS annotation in complex samples with SIRIUS

Unknown PFAS annotation in complex samples with SIRIUS

Want to have a peek at the newest SIRIUS developments and upcoming software features at ASMS 2026?
Visit us at our Poster WP 432 on Wednesday, June 03.

Identifying unknown PFAS in complex samples usually feels like a trade-off:
❌ Specialized tools often suffer from high false-positive rates.
❌ General tools often filter out high-fluorine formulas just to save on computation time.

✨ We present the integration of a specialized PFAS detection strategy directly into SIRIUS to merge it with general small molecule annotation.

Stop by at our poster to discuss with Kai Dührkop how our newest approach will accelerate your PFAS detection workflow.

The easy way to comprehensive structure elucidation​

SIRIUS is the comprehensive software solution for the high-throughput identification of small molecules from fragmentation mass spectrometry data. SIRIUS provides a comprehensive set of features spanning every step from feature detection to detailed result validation. It is designed to not only accurately characterize known compounds but also to confidently identify “unknown unknowns” in complex biological samples. 

Share